Changeset f04f11

Timestamp:

Apr 22, 2010, 2:07:14 PM (15 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

620a3f

Parents:

b40a93

Message:

small changes to tesselation.

• Tesselation::FindDegeneratedCandidatesforOpenLines() - sets CandidateLine::T to Tesselation::BTS, being the last added triangle.
• Tesselation::AddCandidatePolygon() - remark about above added to call of function
• Tesselation::FindCandidatesforOpenLines() - added assert to check that there is only one triangle attached to this CandidateForTesselation::baseline

File:

• src/tesselation.cpp (modified) (4 diffs)

src/tesselation.cpp

@@ -7 +7 @@
 
 #include <fstream>
+#include <assert.h>
 
 #include "helpers.hpp"
@@ -2538 +2539 @@
     baseline = Runner->second;
     if (baseline->pointlist.empty()) {
+      assert((baseline->BaseLine->triangles.size() == 1) && ("Open line without exactly one attached triangle"));
       T = (((baseline->BaseLine->triangles.begin()))->second);
       DoLog(1) && (Log() << Verbose(1) << "Finding best candidate for open line " << *baseline->BaseLine << " of triangle " << *T << endl);
@@ -2590 +2592 @@
     if (Sprinter != connectedClosestPoints->end()) {
       // fill the internal open lines with its respective candidate (otherwise lines in degenerate case are not picked)
-      FindDegeneratedCandidatesforOpenLines(*Sprinter, &CandidateLine.OptCenter);
+      FindDegeneratedCandidatesforOpenLines(*Sprinter, &CandidateLine.OptCenter); // Assume BTS contains last triangle
       DoLog(0) && (Log() << Verbose(0) << " There are still more triangles to add." << endl);
     }
@@ -2631 +2633 @@
       else {
         DoLog(1) && (Log() << Verbose(1) << "INFO: line " << *(FindLine->second) << " is open with no candidate, setting to next Sprinter" << (*Sprinter) << endl);
+        Finder->second->T = BTS;  // is last triangle
         Finder->second->pointlist.push_back(Sprinter);
         Finder->second->ShortestAngle = 0.;